[methoxy(sulfino)carbamoyl]benzene

C8H9NO4S — CID 57215850

IUPAC[methoxy(sulfino)carbamoyl]benzene
SMILESCON(C(=O)c1ccccc1)S(=O)O
InChIInChI=1S/C8H9NO4S/c1-13-9(14(11)12)8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12)
InChIKeyDQLMFEJDNYQCIU-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.83
Rot. Bonds3

About [methoxy(sulfino)carbamoyl]benzene

[methoxy(sulfino)carbamoyl]benzene (PubChem CID 57215850) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is [methoxy(sulfino)carbamoyl]benzene.

Molecular Properties

Compound Name[methoxy(sulfino)carbamoyl]benzene
PubChem CID57215850
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name[methoxy(sulfino)carbamoyl]benzene
SMILESCON(C(=O)c1ccccc1)S(=O)O
InChIInChI=1S/C8H9NO4S/c1-13-9(14(11)12)8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12)
InChIKeyDQLMFEJDNYQCIU-UHFFFAOYSA-N
XLogP0.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methoxy(sulfino)carbamoyl]benzene?
The IUPAC name of [methoxy(sulfino)carbamoyl]benzene (CID 57215850) is [methoxy(sulfino)carbamoyl]benzene.
What is the SMILES notation for [methoxy(sulfino)carbamoyl]benzene?
The canonical SMILES for [methoxy(sulfino)carbamoyl]benzene is CON(C(=O)c1ccccc1)S(=O)O.
What is the InChIKey of [methoxy(sulfino)carbamoyl]benzene?
The InChIKey is DQLMFEJDNYQCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-13-9(14(11)12)8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,12).
What are the key properties of [methoxy(sulfino)carbamoyl]benzene?
[methoxy(sulfino)carbamoyl]benzene has a molecular weight of 215.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(sulfino)carbamoyl]benzene is sourced from PubChem (CID 57215850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).